SCHEMBL1665489

SCHEMBL1665489

C=CCC1(NC(=O)OC(C)(C)C)CCC(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
GRM4 Q14833 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31
MTOR P42345 1/20 0.31
GRM1 Q13255 1/20 0.31
PLCB1 Q9NQ66 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11963555 0.90 MEN1 (0.33) BTKKMT2AMEN1MAPK1MAPT
SCHEMBL1666351 0.89 BTK (0.40) BTKKMT2AMEN1MAPK1GRM2
SCHEMBL12799827 0.82 EPHX2 (0.35) KMT2AMEN1TSHR
SCHEMBL26765806 0.81 CTSK (0.36) KMT2AMEN1MAPK1TDP1MAPT
SCHEMBL11963502 0.79 KMT2A (0.34) BTKKMT2AMEN1MAPK1TSHR
SCHEMBL3225010 0.75 PPM1D (0.30)
SCHEMBL31219458 0.73 BTK (0.40) BTKKMT2AEPHX1CTSK
SCHEMBL12799920 0.71 EPHX2 (0.35) KMT2AMEN1TSHR
SCHEMBL24845270 0.70 CTSK (0.33) KMT2AMEN1MAPK1TDP1LMNA
SCHEMBL25784924 0.69 KMT2A (0.37) BTKKMT2AMEN1MAPK1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221819-B2 Spirocyclic compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-8877749-B2 Spirocyclic compounds as modulators of chemokine receptor activity Bristol-Myers Squibbs Company (US) 2014-11-04 US disclosed
EP-2486034-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
US-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
WO-2011044197-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CXCR1, CCR7 BTK 2436/4885KMT2A 4716/4885MEN1 4165/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.